Molecule
ID:16867
General Information
Molecular Formula
C₅H₁₁N₃O
Molecular Mass
129.16034
Exact Mass
129.09021199
Charge
0
InChI
InChI=1S/C5H11N3O/c6-5(9)8-3-1-7-2-4-8/h7H,1-4H2,(H2,6,9)
InChIKey
IVXQBCUBSIPQGU-UHFFFAOYSA-N
Canonic Smiles
NC(=O)N1CCNCC1
Isomeric Smiles
N1(CCNCC1)C(=O)N
Calculated Properties
JChem
Acid pKa
16.105839
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.7236938
LogD (pH = 7.4)
-2.010312
Log P
-1.4524101
Molar Refractivity
33.6914
Polarizability
13.11384
Polar Surface Area
58.36
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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